AMINOGLUTETHIMIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1980)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: L02BG01
UNII: 0O54ZQ14I9

Structure
InChI Key ROBVIMPUHSLWNV-UHFFFAOYSA-N
Smile CCC1(c2ccc(N)cc2)CCC(=O)NC1=O
InChI
InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H16N2O2
Molecular Weight 232.28
AlogP 1.35
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 72.19
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 11A1 inhibitor
Primary Target
CYP19A1
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 11 Cytochrome P450 family 11A Cytochrome P450 11A1
- 29000-30000 - - 14-85
Enzyme Cytochrome P450 Cytochrome P450 family 11 Cytochrome P450 family 11B Cytochrome P450 11B2
- 50000-110000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 17 Cytochrome P450 family 17A Cytochrome P450 17A1
- 60000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
260 5.2-2818382931264.45 - 470-4100 32.5-90
Enzyme Cytochrome P450 Cytochrome P450 family 5 Cytochrome P450 family 5A Cytochrome P450 5A1
- 18500 - - -
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 17.79
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -21.56-7.95
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) Leukotriene receptor
- - - - 29-82
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 52.33

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 3 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials

Related Entries

MCS

Cross References

Resources Reference
CAS NUMBER 125-84-8
ChEBI 2654
ChEMBL CHEMBL488
DrugBank DB00357
DrugCentral 164
EPA CompTox DTXSID8022589
FDA SRS 0O54ZQ14I9
Human Metabolome Database HMDB0014501
Guide to Pharmacology 7054
KEGG C07617
PharmGKB PA448375
PubChem 2145
SureChEMBL SCHEMBL4306
ZINC ZINC01530856
CONTENTS